methyl 1-[4-methyl-2-(2-methylpropyl)pentyl]-3-(phenylazanylmethyl)indole-5-carboxylate

Systemtic Name: methyl 1-[4-methyl-2-(2-methylpropyl)pentyl]-3-(phenylazanylmethyl)indole-5-carboxylate Openeye Name: methyl 3-(anilinomethyl)-1-(2-isobutyl-4-methyl-pentyl)indole-5-carboxylate CAS Name: 3-(anilinomethyl)-1-[4-methyl-2-(2-methylpropyl)pentyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(anilinomethyl)-1-[4-methyl-2-(2-methylpropyl)pentyl]indole-5-carboxylate Traditional Name: 3-(anilinomethyl)-1-(2-isobutyl-4-methyl-pentyl)indole-5-carboxylic acid methyl ester Formula: C27H36N2O2 MolecularWeight: 420.58694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(C)C)CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(CC(C)C)CN1C=C(C2=C1C=CC(=C2)C(=O)OC)CNC3=CC=CC=C3

InChI

InChI=1S/C27H36N2O2/c1-19(2)13-21(14-20(3)4)17-29-18-23(16-28-24-9-7-6-8-10-24)25-15-22(27(30)31-5)11-12-26(25)29/h6-12,15,18-21,28H,13-14,16-17H2,1-5H3